[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H12ClN3O6 MolecularWeight: 389.74668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O6/c1-25-12-5-2-10(3-6-12)16-20-19-15(27-16)9-26-17(22)13-8-11(21(23)24)4-7-14(13)18/h2-8H,9H2,1H3